I have tweaked a script by Tsjerk Wassenaar that can remove atoms out of a
unit cell.
I have encountered 2 problems. First is even though i knew the Atom i
wanted to remove from the model
i had no easy way to do it because i didn't found any unique identifier
for an Atom in the atom class.
So w
Hi,
I was wondering if there is a way to add hydrogens to
a selected atom based on different hybridization,
e.g., sp2, sp3, etc., in which way different number of
hydrogens will be added with the corresponding
geometry.
Thanks,
Frank
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Yahoo! Sm
Frank,
PyMOL adds hydrogens based on the hybridization and formal charge of an
atom...if you're not getting the right number of hydrogen, then you probably
need to adjust either the valences of the bonds it participates in, or the
formal charge.
A) To adjust valences:
1) enable "show valences" f
